3-nitro-4-oxidanyl-5-piperazin-1-yl-benzoic acid

Systemtic Name: 3-nitro-4-oxidanyl-5-piperazin-1-yl-benzoic acid Openeye Name: 4-hydroxy-3-nitro-5-piperazin-1-yl-benzoic acid CAS Name: 4-hydroxy-3-nitro-5-(1-piperazinyl)benzoic acid IUPAC Name: 4-hydroxy-3-nitro-5-piperazin-1-ylbenzoic acid Traditional Name: 4-hydroxy-3-nitro-5-piperazino-benzoic acid Formula: C11H13N3O5 MolecularWeight: 267.23802

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=C(C(=CC(=C2)C(=O)O)[N+](=O)[O-])O

Isomeric SMILES

C1CN(CCN1)C2=C(C(=CC(=C2)C(=O)O)[N+](=O)[O-])O

InChI

InChI=1S/C11H13N3O5/c15-10-8(13-3-1-12-2-4-13)5-7(11(16)17)6-9(10)14(18)19/h5-6,12,15H,1-4H2,(H,16,17)